CID 83669873

4-bromo-2-methyl-5-pyrimidinecarboxylic acid

Structural Information

Molecular Formula
C6H5BrN2O2
SMILES
CC1=NC=C(C(=N1)Br)C(=O)O
InChI
InChI=1S/C6H5BrN2O2/c1-3-8-2-4(6(10)11)5(7)9-3/h2H,1H3,(H,10,11)
InChIKey
ZRTRNJRWHSKCQQ-UHFFFAOYSA-N
Compound name
4-bromo-2-methylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.95345 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96073 131.8
[M+Na]+ 238.94267 144.8
[M-H]- 214.94617 135.0
[M+NH4]+ 233.98727 151.1
[M+K]+ 254.91661 134.2
[M+H-H2O]+ 198.95071 131.5
[M+HCOO]- 260.95165 150.6
[M+CH3COO]- 274.96730 182.0
[M+Na-2H]- 236.92812 139.8
[M]+ 215.95290 150.7
[M]- 215.95400 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.